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N(2')-acetylgentamicin C1a

Properties

Image

Occurences in reactions

MNX_ID

MNXM4677

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₂₁H₄₅N₅O₈

charge

mass

495.32462

reference

chebi:58552

InChIKey

RLGSXXMFPPOROB-JOYMZIHVSA-R

InChI

InChI=1S/C21H41N5O8/c1-9(27)26-13-5-4-10(7-22)32-19(13)33-16-11(23)6-12(24)17(14(16)28)34-20-15(29)18(25-3)21(2,30)8-31-20/h10-20,25,28-30H,4-8,22-24H2,1-3H3,(H,26,27)/p+4/t10-,11-,12+,13+,14-,15+,16+,17-,18+,19+,20+,21-/m0/s1

SMILES

C[NH2+][C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](C[NH3+])CC[C@H]3NC(C)=O)[C@@H]([NH3+])C[C@H]2[NH3+])OC[C@]1(C)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58552 chebi:58552	N(2')-acetylgentamicin C1a (1R,2S,3S,4R,6S)-4,6-diammonio-3-[3-deoxy-4-C-methyl-3-(methylammonio)-beta-L-arabinopyranosyloxy]-2-hydroxycyclohexyl 2-acetamido-6-ammmonio-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside N(2')-acetylgentamycin C1a(4+)
CHEBI:28147 chebi:28147	N(2')-acetylgentamycin C1a (1R,2S,3S,4R,6S)-4,6-diamino-3-[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyloxy]-2-hydroxycyclohexyl 2-acetamido-6-amino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside N2'-Acetylgentamicin C1a
kegg.compound:C03524 keggC:C03524	N2'-Acetylgentamicin C1a
seed.compound:cpd02221 seedM:cpd02221	N2'-Acetylgentamicin C1a N2'-acetylgentamicin C1A
metacyc.compound:N2-ACETYLGENTAMICIN-C1A metacycM:N2-ACETYLGENTAMICIN-C1A	N2'-acetylgentamicin C1A
chebi:12627 chebi:21804 chebi:7360 keggC:M_C03524 seedM:M_cpd02221	secondary/obsolete/fantasy identifier